SCHEMBL7651849

SCHEMBL7651849

CCOC(=O)C(C)(C)n1c(=O)[nH]c2cc(F)c(F)cc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.38
XDH P47989 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 3/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.36
PARG Q86W56 1/20 0.36
DAO P14920 1/20 0.35
GAA P10253 2/20 0.35
NPC1 O15118 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ADORA3 P0DMS8 2/20 0.34
KMT2A Q03164 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7651932 0.85 FEN1 (0.51) MPOXDHALDH1A1KDM4ELMNA
SCHEMBL7653151 0.83 KDM4E (0.44) ALDH1A1KDM4EHSD17B10LMNAGAA
SCHEMBL7649595 0.82 KDM4E (0.47) ALDH1A1KDM4EHSD17B10LMNAGAA
SCHEMBL7653637 0.81 MPO (0.43) MPOXDHALDH1A1KDM4EHSD17B10
SCHEMBL7648344 0.81 CA9 (0.51) KDM4EHSD17B10GAAHPGDALOX15
SCHEMBL7651842 0.81 CA12 (0.51) ALDH1A1KDM4EHSD17B10POLBPARG
SCHEMBL7649684 0.81 CA12 (0.51) ALDH1A1HSD17B10POLBLMNAHPGD
SCHEMBL7652236 0.80 SMN1; SMN2 (0.55) ALDH1A1KDM4EHSD17B10LMNAGAA
SCHEMBL7651049 0.78 FEN1 (0.51) ALDH1A1KDM4EHSD17B10LMNADAO
SCHEMBL7657940 0.77 CA12 (0.55) ALDH1A1KDM4EPOLBLMNAGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407116-B1 2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE DERIVATIVES; ANTIALLERGENS, ANTIASTHMATICS, ANTIHISTAMINES, AND ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
EP-1026160-A1 NITROGENOUS FUSED-RING COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME, AND DRUGS Takeda Chemical Industries, Ltd. (JP) 2000-08-09 EP disclosed